MMsINC Database Search


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MMsINC code: MMs00928541

Type: Neutral
Formula: C₁₈H₂₀O₂

SMILES:

Oc1ccccc1C1(CCCCC1)c1ccc(O)cc1

InChI:

InChI=1/C18H20O2/c19-15-10-8-14(9-11-15)18(12-4-1-5-13-18)16-6-2-3-7-17(16)20/h2-3,6-11,19-20H,1,4-5,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.917 kcal/mol

Physical Properties
Molecular Weight: 268.356 g/mol	logS: -4.93797	SlogP: 4.348	Reactive groups: 0

Topological Properties
Globularity: 0.354316	Sterimol/B1: 3.14491	Sterimol/B2: 4.77616	Sterimol/B3: 5.33882
Sterimol/B4: 5.4536	Sterimol/L: 12.0543

Surface and Volume Properties
Accessible surface: 476.14	Positive charged surface: 309.815	Negative charged surface: 166.324	Volume: 272.125
Hydrophobic surface: 397.661	Hydrophilic surface: 78.479

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.